UCSF

ZINC07184042

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 2006 29 Yes

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.98 9.04 -14.17 1 5 0 64 383.451 5
Lo Low (pH 4.5-6) 3.98 9.32 -52.23 2 5 1 65 384.459 5

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )